3-[2-(3,4-dimethoxyphenyl)ethyl-methyl-amino]-2-(3-methoxy-4-oxidanyl-phenyl)-2-propan-2-yl-pentanenitrile

Systemtic Name: 3-[2-(3,4-dimethoxyphenyl)ethyl-methyl-amino]-2-(3-methoxy-4-oxidanyl-phenyl)-2-propan-2-yl-pentanenitrile Openeye Name: 3-[2-(3,4-dimethoxyphenyl)ethyl-methyl-amino]-2-(4-hydroxy-3-methoxy-phenyl)-2-isopropyl-pentanenitrile CAS Name: 3-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-2-(4-hydroxy-3-methoxyphenyl)-2-propan-2-ylpentanenitrile IUPAC Name: 3-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-2-(4-hydroxy-3-methoxyphenyl)-2-propan-2-ylpentanenitrile Traditional Name: 3-[homoveratryl(methyl)amino]-2-(4-hydroxy-3-methoxy-phenyl)-2-isopropyl-valeronitrile Formula: C26H36N2O4 MolecularWeight: 440.57504

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(C#N)(C1=CC(=C(C=C1)O)OC)C(C)C)N(C)CCC2=CC(=C(C=C2)OC)OC

Isomeric SMILES

CCC(C(C#N)(C1=CC(=C(C=C1)O)OC)C(C)C)N(C)CCC2=CC(=C(C=C2)OC)OC

InChI

InChI=1S/C26H36N2O4/c1-8-25(28(4)14-13-19-9-12-22(30-5)24(15-19)32-7)26(17-27,18(2)3)20-10-11-21(29)23(16-20)31-6/h9-12,15-16,18,25,29H,8,13-14H2,1-7H3